Geometry & MOs

Info

ID:	153888
PubChem CID:	56313223
Reduced:	O2F3N4C19H29 (1)
Stoich.:	A2B3C4D19E29 (1)
Weight, g/mol:	456.196154
ΔH_f, kcal/mol:	-235.47
Dipole, Da:	5.25
IP(EA), eV:	-9.31(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCCN(C)C(=O)C1CCN(CC1)C(=O)C2=C(N(N=C2)C(C)C)C(F)(F)F

DOS

IR

Vibrations